CID 50988543

Methyl 3-amino-2-(oxan-4-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C9H17NO3
SMILES
COC(=O)C(CN)C1CCOCC1
InChI
InChI=1S/C9H17NO3/c1-12-9(11)8(6-10)7-2-4-13-5-3-7/h7-8H,2-6,10H2,1H3
InChIKey
PPSCZQNAABSBIB-UHFFFAOYSA-N
Compound name
methyl 3-amino-2-(oxan-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 143.5
[M+Na]+ 210.11007 146.8
[M-H]- 186.11357 146.1
[M+NH4]+ 205.15467 160.9
[M+K]+ 226.08401 147.9
[M+H-H2O]+ 170.11811 137.2
[M+HCOO]- 232.11905 162.1
[M+CH3COO]- 246.13470 182.9
[M+Na-2H]- 208.09552 146.4
[M]+ 187.12030 140.2
[M]- 187.12140 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.